2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine

C15H31N — CID 105005536

IUPAC2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine
SMILESC=C(C)C(CC(C)CC(C)(C)C)NCCC
InChIInChI=1S/C15H31N/c1-8-9-16-14(12(2)3)10-13(4)11-15(5,6)7/h13-14,16H,2,8-11H2,1,3-7H3
InChIKeyCSGYJMUKKYZZJZ-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.39
Rot. Bonds7

About 2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine

2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine (PubChem CID 105005536) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine.

Molecular Properties

Compound Name2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine
PubChem CID105005536
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine
SMILESC=C(C)C(CC(C)CC(C)(C)C)NCCC
InChIInChI=1S/C15H31N/c1-8-9-16-14(12(2)3)10-13(4)11-15(5,6)7/h13-14,16H,2,8-11H2,1,3-7H3
InChIKeyCSGYJMUKKYZZJZ-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-N-propylhex-1-en-3-amine
CID 79189953
3-methyl-N-propylbut-3-en-2-amine
CID 79177488
1-ethylsulfanyl-3-methyl-N-propylbut-3-en-2-amine
CID 79178395
(3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine
CID 89375942
5,7,7-trimethyl-1-methylsulfonyl-N-propyloctan-3-amine
CID 115848596
1-(1,3-dioxolan-2-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 103546934
2,5-dimethylhept-1-en-3-ylhydrazine
CID 105320121
3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine
CID 63502641
1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 43494313
N,7,9,9-tetramethyl-3-methylidenedecan-5-amine
CID 105006137
4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine
CID 79178206
3-methyl-1-phenyl-N-propylbut-3-en-2-amine
CID 79191049

Frequently Asked Questions

What is the IUPAC name of 2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine?
The IUPAC name of 2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine (CID 105005536) is 2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine.
What is the SMILES notation for 2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine?
The canonical SMILES for 2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine is C=C(C)C(CC(C)CC(C)(C)C)NCCC.
What is the InChIKey of 2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine?
The InChIKey is CSGYJMUKKYZZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-8-9-16-14(12(2)3)10-13(4)11-15(5,6)7/h13-14,16H,2,8-11H2,1,3-7H3.
What are the key properties of 2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine?
2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine has a molecular weight of 225.42 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine is sourced from PubChem (CID 105005536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).